SCHEMBL17445467

SCHEMBL17445467

Clc1nc(-c2cccc3ccccc23)nc2ncccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
HPGD P15428 3/20 0.49
HSD17B10 Q99714 2/20 0.49
GAA P10253 1/20 0.49
METAP1 P53582 1/20 0.45
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
ABCG2 Q9UNQ0 2/20 0.40
HTR2C P28335 2/20 0.40
CYP3A4 P08684 2/20 0.39
CCR1 P32246 1/20 0.39
CCR8 P51685 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
APEX1 P27695 1/20 0.39
PMP22 Q01453 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL786521 0.86 METAP1 (0.46) MAPTALDH1A1HPGDHSD17B10METAP1
SCHEMBL21174604 0.80 ALDH1A1 (0.46) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL31138684 0.80 PIP4K2C (0.59) METAP1ABCG2PIP4K2C
SCHEMBL786374 0.79 ABCG2 (0.59) METAP1ABCG2LMNA
SCHEMBL17299617 0.77 METAP1 (0.58) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6637136 0.76 MAPT (0.50) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1761926 0.75 ALDH1A1 (0.53) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL30601328 0.75 ALDH1A1 (0.53) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL15860241 0.75 ALDH1A1 (0.49) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5551427 0.75 PRKD3 (0.48) KDM4EMETAP1ABCG2CCR1CCR8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9780314-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2017-10-03 US disclosed
US-9780314-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2017-10-03 US disclosed
US-20160020408-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-01-21 US disclosed
US-20160020408-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-01-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160020408-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF OR51E2, NFE2L2, ORAI2 MAPT 1456/4885ALDH1A1 1383/4885KDM4E 446/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.